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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	BRN 5837136
Molecular formula	C16H22N6O5S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-5-hydrazinyl-2,4-dinitroaniline
Molecular weight	410.449
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	3.0
Synonyms	142744-25-0 LS-70240 AC1NX80J [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(5-hydrazino-2,4-dinitro-phenyl)-amine 2-Furanmethanamine, N,N-dimethyl-5-(((2-((5-hydrazino-2,4-dinitrophenyl)amino)ethyl)thio)methyl)- N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-5-hydrazinyl-2,4-dinitroaniline BDBM50004652 CHEMBL321605 N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-aminobenzene-1,5-diamine [ Show all ]
Inchi Key	PJCKCTODZPQSKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H22N6O5S/c1-20(2)9-11-3-4-12(27-11)10-28-6-5-18-13-7-14(19-17)16(22(25)26)8-15(13)21(23)24/h3-4,7-8,18-19H,5-6,9-10,17H2,1-2H3
PubChem CID	5747382
ChEMBL	CHEMBL321605
IUPHAR	N/A
BindingDB	50004652
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
261025	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
261023	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
261024	Muscarinic acetylcholine receptor M2	Q9ERZ4	Chrm2	Mus musculus (Mouse)	466

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